SCHEMBL6570432

SCHEMBL6570432

CCCCc1ccc2c(c1)OCC(=O)CO2

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.44
CALM1 P0DP23 1/20 0.43
HDAC1 Q13547 2/20 0.43
TRPV1 Q8NER1 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
ALOX5 P09917 1/20 0.42
PARP1 P09874 1/20 0.41
CMA1 P23946 1/20 0.41
SKP2 Q13309 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1292108 0.95 ALOX5 (0.46) TAAR1CALM1HDAC1TRPV1HDAC3
SCHEMBL5372803 0.94 ALOX5 (0.48) TAAR1CALM1HDAC1TRPV1HDAC3
SCHEMBL5385068 0.94 ALOX5 (0.48) TAAR1CALM1HDAC1TRPV1HDAC3
SCHEMBL1292060 0.90 TAAR1 (0.46) TAAR1CALM1PARP1CMA1
SCHEMBL5372792 0.83 GRIN2D (0.43) TAAR1CALM1HDAC1HDAC3HDAC2
SCHEMBL4055725 0.83 TAAR1 (0.62) TAAR1CALM1HDAC1TRPV1HDAC3
SCHEMBL6567451 0.83 PARP1 (0.57) TAAR1PARP1CMA1
SCHEMBL18414428 0.83 TRPV1 (0.52) TAAR1CALM1TRPV1SKP2
SCHEMBL29604675 0.83 TAAR1 (0.62) TAAR1CALM1HDAC1TRPV1HDAC3
SCHEMBL180328 0.79 TAAR1 (0.43) TAAR1CALM1CMA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1405851-A1 Method for producing seven-membered diether compounds and intermediates thereof Takasago International Corporation (JP) 2004-04-07 EP disclosed